3-chloro-N-(2-methoxy-5-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide

C18H21ClN2O4S — CID 110359837

IUPAC3-chloro-N-(2-methoxy-5-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide
SMILESCOc1ccc(N2CCOCC2)cc1NS(=O)(=O)c1ccc(C)c(Cl)c1
InChIInChI=1S/C18H21ClN2O4S/c1-13-3-5-15(12-16(13)19)26(22,23)20-17-11-14(4-6-18(17)24-2)21-7-9-25-10-8-21/h3-6,11-12,20H,7-10H2,1-2H3
InChIKeyMJUQTDIXPXENQT-UHFFFAOYSA-N
MW396.90 g/mol
LogP3.29
Rot. Bonds5

About 3-chloro-N-(2-methoxy-5-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide

3-chloro-N-(2-methoxy-5-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide (PubChem CID 110359837) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is 3-chloro-N-(2-methoxy-5-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-methoxy-5-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide
PubChem CID110359837
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC Name3-chloro-N-(2-methoxy-5-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide
SMILESCOc1ccc(N2CCOCC2)cc1NS(=O)(=O)c1ccc(C)c(Cl)c1
InChIInChI=1S/C18H21ClN2O4S/c1-13-3-5-15(12-16(13)19)26(22,23)20-17-11-14(4-6-18(17)24-2)21-7-9-25-10-8-21/h3-6,11-12,20H,7-10H2,1-2H3
InChIKeyMJUQTDIXPXENQT-UHFFFAOYSA-N
XLogP3.29
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-5-morpholin-4-ylphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 110362802
N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-3,4-dimethylbenzenesulfonamide
CID 110362056
N-(2-methoxy-5-morpholin-4-ylphenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110359854
N-(2-methoxy-5-morpholin-4-ylphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 110359825
4-ethoxy-N-(2-methoxy-5-morpholin-4-ylphenyl)benzenesulfonamide
CID 110359849
3-[(2-methoxy-5-morpholin-4-ylphenyl)sulfamoyl]benzoic acid
CID 110613237
N-(2-chloro-5-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 110362804
4-methoxy-3-methyl-N-(3-morpholin-4-ylphenyl)benzenesulfonamide
CID 110362395
N-(2-methyl-5-morpholin-4-ylphenyl)benzenesulfonamide
CID 110362516
3-iodo-4-methoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 100520095
N-(2-methoxy-5-piperidin-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide
CID 110359714
4-fluoro-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110359709

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methoxy-5-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-(2-methoxy-5-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide (CID 110359837) is 3-chloro-N-(2-methoxy-5-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2-methoxy-5-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2-methoxy-5-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide is COc1ccc(N2CCOCC2)cc1NS(=O)(=O)c1ccc(C)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-methoxy-5-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide?
The InChIKey is MJUQTDIXPXENQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-13-3-5-15(12-16(13)19)26(22,23)20-17-11-14(4-6-18(17)24-2)21-7-9-25-10-8-21/h3-6,11-12,20H,7-10H2,1-2H3.
What are the key properties of 3-chloro-N-(2-methoxy-5-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide?
3-chloro-N-(2-methoxy-5-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide has a molecular weight of 396.90 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methoxy-5-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 110359837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).